[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine

C13H18ClN5S — CID 105237633

IUPAC[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
SMILESCCCn1nncc1C(CSc1ccccc1Cl)NN
InChIInChI=1S/C13H18ClN5S/c1-2-7-19-12(8-16-18-19)11(17-15)9-20-13-6-4-3-5-10(13)14/h3-6,8,11,17H,2,7,9,15H2,1H3
InChIKeyUZHHWXMSDLOZDL-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.64
Rot. Bonds7

About [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine

[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine (PubChem CID 105237633) has the molecular formula C13H18ClN5S and a molecular weight of 311.84 g/mol. Its IUPAC name is [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
PubChem CID105237633
Molecular FormulaC13H18ClN5S
Molecular Weight311.84 g/mol
Exact Mass311.10
IUPAC Name[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
SMILESCCCn1nncc1C(CSc1ccccc1Cl)NN
InChIInChI=1S/C13H18ClN5S/c1-2-7-19-12(8-16-18-19)11(17-15)9-20-13-6-4-3-5-10(13)14/h3-6,8,11,17H,2,7,9,15H2,1H3
InChIKeyUZHHWXMSDLOZDL-UHFFFAOYSA-N
XLogP2.64
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688224
[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105237364
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688232
[2-(2-chlorophenyl)sulfanyl-1-(4-propylphenyl)ethyl]hydrazine
CID 105237569
[(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105253024
2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
CID 114656223
[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105192382
[2-methoxy-2-phenyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105279057
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 114213638
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
[2-(2-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethyl]hydrazine
CID 105237723

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine (CID 105237633) is [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine is CCCn1nncc1C(CSc1ccccc1Cl)NN.
What is the InChIKey of [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is UZHHWXMSDLOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5S/c1-2-7-19-12(8-16-18-19)11(17-15)9-20-13-6-4-3-5-10(13)14/h3-6,8,11,17H,2,7,9,15H2,1H3.
What are the key properties of [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine?
[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 311.84 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105237633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).